Silodosin-beta,D-glucuronide - ≥95% , CAS No.879396-70-0

CAS: 879396-70-0 Cat. No.: S1312274 PubChem CID: 11534908

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

사양 및 순도

≥95%

보관 조건

Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

정식 스마일

CC(CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCOC3C(C(C(C(O3)C(=O)O)O)O)O)NCCOC4=CC=CC=C4OCC(F)(F)F

IUPAC Name

(2S,3S,4S,5R,6R)-6-[3-[7-carbamoyl-5-[(2R)-2-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethylamino]propyl]-2,3-dihydroindol-1-yl]propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

InChIKey

ZSZSAUNNNUTBDH-UPUDQGLBSA-N

INCHI

1S/C31H40F3N3O10/c1-17(36-8-12-44-21-5-2-3-6-22(21)46-16-31(32,33)34)13-18-14-19-7-10-37(23(19)20(15-18)28(35)41)9-4-11-45-30-26(40)24(38)25(39)27(47-30)29(42)43/h2-3,5-6,14-15,17,24-27,30,36,38-40H,4,7-13,16H2,1H3,(H2,35,41)(H,42,43)/t17-,24+,25+,26-,27+,30-/m1/s1

이성체 SMILES

C[C@H](CC1=CC2=C(C(=C1)C(=O)N)N(CC2)CCCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)NCCOC4=CC=CC=C4OCC(F)(F)F

대체 CAS

879396-70-0

PubChem CID

11534908

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Sugar acids and derivatives
          • Level6 Glucuronic acid derivatives
            • Level7 Glucuronides
              • Level8 O-glucuronides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Sugar acids and derivatives - Glucuronic acid derivatives - Glucuronides
• Direct Parent: O-glucuronides
• Alternative Parents: Hexoses Indolecarboxamides and derivatives O-glycosyl compounds Phenoxy compounds Phenol ethers Dialkylarylamines Alkyl aryl ethers Aralkylamines Beta hydroxy acids and derivatives Pyrans Oxanes Vinylogous amides Secondary alcohols Primary carboxylic acid amides Amino acids Acetals Polyols Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkylamines Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Alkyl fluorides Organic oxides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: O-glucuronide - 1-o-glucuronide - Indolecarboxamide derivative - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Indole or derivatives - Phenoxy compound - Phenol ether - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Beta-hydroxy acid - Alkyl aryl ether - Aralkylamine - Oxane - Hydroxy acid - Monocyclic benzene moiety - Pyran - Monosaccharide - Benzenoid - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Amino acid - Tertiary amine - Secondary alcohol - Primary carboxylic acid amide - Polyol - Acetal - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Secondary amine - Organofluoride - Alcohol - Organohalogen compound - Amine - Alkyl halide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic oxide - Alkyl fluoride - Carbonyl group - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as o-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through an O-glycosidic bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 분자량: 671.700 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 16
• Exact Mass: 671.267 Da
• Monoisotopic Mass: 671.267 Da
• Topological Polar Surface Area: 193.000 Ų
• Heavy Atom Count: 47
• Formal Charge: 0
• Complexity: 1010.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 879396-70-0. InChIKey ZSZSAUNNNUTBDH-UPUDQGLBSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.